ethanedioic acid; 3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-1-(phenylmethyl)pyrrolidine-2,5-dione

Systemtic Name: ethanedioic acid; 3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-1-(phenylmethyl)pyrrolidine-2,5-dione Openeye Name: 1-benzyl-3-[4-(tetrahydrofuran-2-ylmethyl)piperazin-1-yl]pyrrolidine-2,5-dione; oxalic acid CAS Name: oxalic acid; 3-[4-(2-oxolanylmethyl)-1-piperazinyl]-1-(phenylmethyl)pyrrolidine-2,5-dione IUPAC Name: 1-benzyl-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrrolidine-2,5-dione; oxalic acid Traditional Name: 1-benzyl-3-[4-(tetrahydrofurfuryl)piperazino]pyrrolidine-2,5-quinone; oxalic acid Formula: C22H29N3O7 MolecularWeight: 447.48156

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2CCN(CC2)C3CC(=O)N(C3=O)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(OC1)CN2CCN(CC2)C3CC(=O)N(C3=O)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H27N3O3.C2H2O4/c24-19-13-18(20(25)23(19)14-16-5-2-1-3-6-16)22-10-8-21(9-11-22)15-17-7-4-12-26-17;3-1(4)2(5)6/h1-3,5-6,17-18H,4,7-15H2;(H,3,4)(H,5,6)